Related papers: Revisiting Ferroelectricity Beyond Polar Space Gro…
Periodic boundary condition (PBC) is a standard approximation for calculating crystalline materials properties. However, a PBC crystal is not the same as the real macroscopic crystal, therefore, if applied indiscriminately, it can lead to…
The nature of the "forbidden" local- and long-range polar order in nominally nonpolar paraelectric phases of ferroelectric materials has been an open question since the discovery of ferroelectricity in oxide perovskites (ABO3). A currently…
The wealth of complex polar topologies recently found in nanoscale ferroelectrics result from a delicate balance between the materials intrinsic tendency to develop a homogeneous polarization and the electric and mechanic boundary…
Proposing a general formulism in terms of local coordinates representing the tilting of the ligands' octahedra, we evaluate the electric polarization in a chain of transition metal ions with unpolar octahedron rotation. We find the orbital…
The question of whether one can systematically identify (previously unknown) ferroelectric phases of a given material is addressed, taking hafnia (HfO$_2$) as an example. Low free energy phases at various pressures and temperatures are…
Polar nematic liquid crystals are new classes of condensed-matter states where the inversion symmetry common to the traditional apolar nematics is broken. Establishing theoretical descriptions for the novel phase states is an urgent task.…
We consider ferroelectric phase transitions in both short-circuited and biased ferroelectric-semiconductor films with a space (depletion) charge which leads to some unusual behavior. It is shown that in the presence of the charge the…
Strong coupling among spontaneous structural symmetric breaking, magnetism and metallicity in an intrinsic polar magnetic metal can give rise to novel physical phenomena and holds great promise for applications in spintronics. Here, we…
We have performed dielectric measurements and neutron diffraction experiments on the double perovskite In2NiMnO6. A ferroelectric polarization, P ~ 30 {\mu}C/m2, is observed in a polycrystalline sample below TN = 26 K where a magnetic phase…
Semiconducting ferroelectric materials with low energy polarisation switching offer a platform for next-generation electronics such as ferroelectric field-effect transistors. Ferroelectric domains at symmetry-broken interfaces of transition…
The ground-state structural and electronic properties of ferroelectric BiFeO$_3$ are calculated using density functional theory within the local spin-density approximation and the LSDA+U method. The crystal structure is computed to be…
The interplay between ferroelectricity and band topology can give rise to a wide range of both fundamental and applied research. Here, we map out the emergence of nontrivial corner states in two-dimensional ferroelectrics, and remarkably…
We have proposed the polarization rotation theory to understand the underlying physics of the large piezoelectric effect in ferroelectric crystals by referring to the coherent rotation model in ferromagnetism. When both the electric field…
Topological spin and polar textures have fascinated people in different areas of physics and technologies. However, the observations are limited in magnetic and solid-state ferroelectric systems. Ferroelectric nematic is the first…
Density Functional Theory (DFT) calculations were used to evaluate polarity of group III nitrides, such as aluminum nitride (AlN), gallium nitride (GaN) and indium nitride (InN) providing physically sound quantitative measure of polarity of…
Recently, a method of ultrafast polarization switching in ferroelectrics has been suggested. The basic idea of the method is to employ the effect of self-acceleration of polarization dynamics due to a resonator feedback field. This is the…
The dipole moment of any finite and neutral system, having a square-integrable wavefunction, is a well defined quantity. The same quantity is ill-defined for an extended system, whose wavefunction invariably obeys periodic (Born-von Karman)…
This paper provides a brief introduction to the phenomenological aspects of the polarization in ferrroelectric materials, and then an analysis of a few selected topics related to the modelling of ferroelectrics. The description of…
Perovskites with tunable and switchable polarization hold immense promise for unlocking novel functionalities. Using density-functional theory, we reveal that intrinsic defects can induce, enhance, and control polarization in…
Emerging ferroic materials may pave a new way to next-generation nanoelectronic and spintronic devices due to their interesting physical properties. Here, we systematically review unconventional ferroelectric systems, from Hf-based and…